N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide

C21H22N4O2 — CID 90565111

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1
InChIInChI=1S/C21H22N4O2/c1-16-22-11-12-25(16)19-8-7-18(15-23-19)24-20(26)21(9-13-27-14-10-21)17-5-3-2-4-6-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)
InChIKeyCAMJZXRLYKLQFN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.26
Rot. Bonds4

About N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide (PubChem CID 90565111) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
PubChem CID90565111
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1
InChIInChI=1S/C21H22N4O2/c1-16-22-11-12-25(16)19-8-7-18(15-23-19)24-20(26)21(9-13-27-14-10-21)17-5-3-2-4-6-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)
InChIKeyCAMJZXRLYKLQFN-UHFFFAOYSA-N
XLogP3.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56815888
3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 64893945
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 121113860
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-phenylcyclopropane-1-carboxamide
CID 31908123
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-4-phenyloxane-4-carboxamide
CID 122299702
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 66240019

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide (CID 90565111) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cn1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide?
The InChIKey is CAMJZXRLYKLQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-22-11-12-25(16)19-8-7-18(15-23-19)24-20(26)21(9-13-27-14-10-21)17-5-3-2-4-6-17/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26).
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 90565111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).